2-[[3-(2-nitroethenyl)phenoxy]methyl]pyridine

C14H12N2O3 — CID 66707738

IUPAC2-[[3-(2-nitroethenyl)phenoxy]methyl]pyridine
SMILESO=[N+]([O-])C=Cc1cccc(OCc2ccccn2)c1
InChIInChI=1S/C14H12N2O3/c17-16(18)9-7-12-4-3-6-14(10-12)19-11-13-5-1-2-8-15-13/h1-10H,11H2
InChIKeyXSHQIZIUGSVBDM-UHFFFAOYSA-N
MW256.26 g/mol
LogP2.91
Rot. Bonds5

About 2-[[3-(2-nitroethenyl)phenoxy]methyl]pyridine

2-[[3-(2-nitroethenyl)phenoxy]methyl]pyridine (PubChem CID 66707738) has the molecular formula C14H12N2O3 and a molecular weight of 256.26 g/mol. Its IUPAC name is 2-[[3-(2-nitroethenyl)phenoxy]methyl]pyridine.

Molecular Properties

Compound Name2-[[3-(2-nitroethenyl)phenoxy]methyl]pyridine
PubChem CID66707738
Molecular FormulaC14H12N2O3
Molecular Weight256.26 g/mol
Exact Mass256.08
IUPAC Name2-[[3-(2-nitroethenyl)phenoxy]methyl]pyridine
SMILESO=[N+]([O-])C=Cc1cccc(OCc2ccccn2)c1
InChIInChI=1S/C14H12N2O3/c17-16(18)9-7-12-4-3-6-14(10-12)19-11-13-5-1-2-8-15-13/h1-10H,11H2
InChIKeyXSHQIZIUGSVBDM-UHFFFAOYSA-N
XLogP2.91
TPSA65.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.26
LogP ≤ 52.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1-[[3-(2-nitroethenyl)phenoxy]methyl]naphthalene
CID 887953
1-ethoxy-3-(2-nitroethenyl)benzene
CID 76912992
(NZ)-N-[[3-(pyridin-2-ylmethoxy)phenyl]methylidene]hydroxylamine
CID 29021936
1-(2-nitroethenyl)-3-phenoxybenzene
CID 2732974
1-[(E)-2-nitroethenyl]-3,5-bis(phenylmethoxy)benzene
CID 11792933
3-(pyridin-2-ylmethoxy)benzenethiol
CID 143173628
(E)-2-phenyl-N-[3-(pyridin-2-ylmethoxy)phenyl]ethenesulfonamide
CID 43069636
1-[[3-(2-nitroethenyl)phenoxy]methyl]adamantane
CID 67520596
2-[[3-(chloromethyl)phenoxy]methyl]pyridine
CID 28534890
2-nitro-N-(pyridin-2-ylmethyl)ethenamine
CID 67930852
3-(pyridin-2-ylmethoxy)benzonitrile
CID 24695986
3-methylsulfonyl-2-nitro-N-[3-(pyridin-2-ylmethoxy)phenyl]aniline
CID 133393426

Frequently Asked Questions

What is the IUPAC name of 2-[[3-(2-nitroethenyl)phenoxy]methyl]pyridine?
The IUPAC name of 2-[[3-(2-nitroethenyl)phenoxy]methyl]pyridine (CID 66707738) is 2-[[3-(2-nitroethenyl)phenoxy]methyl]pyridine.
What is the SMILES notation for 2-[[3-(2-nitroethenyl)phenoxy]methyl]pyridine?
The canonical SMILES for 2-[[3-(2-nitroethenyl)phenoxy]methyl]pyridine is O=[N+]([O-])C=Cc1cccc(OCc2ccccn2)c1.
What is the InChIKey of 2-[[3-(2-nitroethenyl)phenoxy]methyl]pyridine?
The InChIKey is XSHQIZIUGSVBDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N2O3/c17-16(18)9-7-12-4-3-6-14(10-12)19-11-13-5-1-2-8-15-13/h1-10H,11H2.
What are the key properties of 2-[[3-(2-nitroethenyl)phenoxy]methyl]pyridine?
2-[[3-(2-nitroethenyl)phenoxy]methyl]pyridine has a molecular weight of 256.26 g/mol, XLogP of 2.91, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-(2-nitroethenyl)phenoxy]methyl]pyridine is sourced from PubChem (CID 66707738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).